Written by Daniel Jana (2015-06-16)

This test is ready to submit to the nodes with the file: job.gromacs.slurm

It's a simple test that will run in a few seconds.

If the code finds available GPU, it will run on it. Otherwise it reverts to the CPU only. It produces a file called: md.log

with some stats. It also produces a trajectory file, traj.trr, with 62 MB.